1-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 1-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-2-butanone IUPAC Name: 1-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethylbutan-2-one Traditional Name: 1-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C19H27N3OS MolecularWeight: 345.50218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SCC(=O)C(C)(C)C

InChI

InChI=1S/C19H27N3OS/c1-18(2,3)14-10-8-13(9-11-14)16-20-21-17(22(16)7)24-12-15(23)19(4,5)6/h8-11H,12H2,1-7H3